Favipiravir Tautomerism: A Short Theoretical Report

14 April 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


There is no experimental data about the tautomerism of Favipiravir (T-705). Therefore its tautomeric state was predicted by using density functional theory in gas phase and in solution (toluene, acetonitrile and water). The solvent effect was described by means of the Polarizable Continuum Model. The results have shown that the enol form is strongly dominating in both gas phase and solution. In order to validate the theoretical predictions, 2-hydroxy pyridine and 2-hydroxy pyrazine were also included in the set of studied compounds. The available experimental data for their tautomerism are in very good agreement with the theoretical predictions, which validate the conclusions made for T-705.




Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.